SCHEMBL6494995

SCHEMBL6494995

COc1[c]cc(-c2cc3cc(F)c(F)cc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A1 P04798 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
IMPDH2 P12268 1/20 0.32
AURKA O14965 2/20 0.31
CCNA2 P20248 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7103387 0.79 KDM4E (0.39) KDM4ENPC1RAB9AMAPTCASP3
Ammonia Solution, Strong SCHEMBL6495711 0.74 KDM4E (0.38) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL7111221 0.72 CYP1A1 (0.39) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL6493592 0.72 CYP1A1 (0.51) KDM4ENPC1RAB9AMAPTCASP3
Hydrochloric Acid SCHEMBL6496441 0.71 CYP1A1 (0.50) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL7019407 0.70 CCNB2 (0.38) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL7019826 0.70 RIPK1 (0.42) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL6116903 0.70 TNKS (0.48) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL7016752 0.69 EGFR (0.35) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL6493580 0.68 JAK2 (0.45) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US claimed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
US-6906094-B2 1,2,4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase WARNER-LAMBERT COMPANY (US) 2005-06-14 US disclosed
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US disclosed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B KDM4E 2116/4885NPC1 3031/4885RAB9A 3743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.